N-[(3,4-dimethylphenyl)carbamoyl]valine
TL;DR: N-[(3,4-dimethylphenyl)carbamoyl]valine (CAS 1008483-10-0) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethylphenyl)carbamoylamino]-3-methylbutanoic acid
Also Known As: N-[(3,4-dimethylphenyl)carbamoyl]valine, 2-(3-(3,4-dimethylphenyl)ureido)-3-methylbutanoic acid, 2-[(3,4-dimethylphenyl)carbamoylamino]-3-methyl-butanoic Acid, 2-[(3,4-dimethylphenyl)carbamoylamino]-3-methylbutanoic acid
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 2.53414 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 483.57947 |
Chemical Identifiers
| CAS Number | 1008483-10-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)NC(C(C)C)C(=O)O)C |
Product Overview
N-[(3,4-dimethylphenyl)carbamoyl]valine (CAS 1008483-10-0), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: 2-[(3,4-dimethylphenyl)carbamoylamino]-3-methylbutanoic acid.
Chemical Property Profile of N-[(3,4-dimethylphenyl)carbamoyl]valine
Property Insights of N-[(3,4-dimethylphenyl)carbamoyl]valine
The XLogP value of 2.53414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3,4-dimethylphenyl)carbamoyl]valine. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3,4-dimethylphenyl)carbamoyl]valine. Following Lipinski's Rule of Five, N-[(3,4-dimethylphenyl)carbamoyl]valine has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[(3,4-dimethylphenyl)carbamoyl]valine?
The CAS number of N-[(3,4-dimethylphenyl)carbamoyl]valine is 1008483-10-0.
What is the molecular formula of N-[(3,4-dimethylphenyl)carbamoyl]valine?
The molecular formula of N-[(3,4-dimethylphenyl)carbamoyl]valine is C14H20N2O3.
What is the molecular weight of N-[(3,4-dimethylphenyl)carbamoyl]valine?
The molecular weight of N-[(3,4-dimethylphenyl)carbamoyl]valine is 264.15 g/mol.
Where can I buy N-[(3,4-dimethylphenyl)carbamoyl]valine?
You can request a quote for N-[(3,4-dimethylphenyl)carbamoyl]valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3,4-dimethylphenyl)carbamoyl]valine?
Yes, KEHONG BIO provides custom synthesis services for N-[(3,4-dimethylphenyl)carbamoyl]valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.